Vitas-M small molecule compound
1-[2-(4-fluorophenyl)ethyl]-1',6'-dimethyl-2,6-dioxo-1,1',4',6-tetrahydro-2H,2'H-spiro[pyrimidine-5,3'-quinolinium]-4-olate
Catalog ID
STL052725
SMILES Fc1ccc(cc1)CCN1C(=O)N=C(C2(C1=O)Cc1cc(C)ccc1[NH+](C2)C)[O-]
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C22H22FN3O3 MW 395.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22FN3O3/c1-14-3-8-18-16(11-14)12-22(13-25(18)2)19(27)24-21(29)26(20(22)28)10-9-15-4-6-17(23)7-5-15/h3-8,11H,9-10,12-13H2,1-2H3,(H,24,27,29)InChIKey
MXNYQTICCFDFCL-UHFFFAOYSA-NSynonyms
877803-06-01(2(4FLUOROPHENYL)ETHYL)16DIMETHYL14DIHYDRO2H2HSPIRO(PYRIMIDINE53QUINOLINE)246(1H3H)TRIONE
1(2(4fluorophenyl)ethyl)16dimethyl26dioxo1146tetrahydro2H2Hspiro(pyrimidine53quinolinium)4olate
1(2(4FLUOROPHENYL)ETHYL)16DIMETHYL46DIOXOSPIRO(24DIHYDRO1HQUINOLIN1IUM35PYRIMIDINE)2OLATE
877803060
CC1=CC2=C(C=C1)(NH+)(CC3(C2)C(=O)N=C(N(C3=O)CCC4=CC=C(C=C4)F)(O))C
Fc1ccc(cc1)CCN1C(=O)N=C(C2(C1=O)Cc1cc(C)ccc1(NH+)(C2)C)(O)
InChI=1SC22H22FN3O3c114381816(1114)1222(1325(18)2)19(27)2421(29)26(20(22)28)109154617(23)7515h3811H9101213H212H3(H242729)
MFCD18249485
ZINC000009242515
ZINC000009242516
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